1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C15H17FN2O2S — CID 24714351

IUPAC1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CCSC12C(=O)N(CC)c1ccc(F)cc12
InChIInChI=1S/C15H17FN2O2S/c1-3-13(19)18-7-8-21-15(18)11-9-10(16)5-6-12(11)17(4-2)14(15)20/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGCDAOBWPZZNXPK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.33
Rot. Bonds2

About 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 24714351) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID24714351
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCC(=O)N1CCSC12C(=O)N(CC)c1ccc(F)cc12
InChIInChI=1S/C15H17FN2O2S/c1-3-13(19)18-7-8-21-15(18)11-9-10(16)5-6-12(11)17(4-2)14(15)20/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGCDAOBWPZZNXPK-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839230
1'-ethyl-5'-fluoro-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015277
(2R)-3-(3-chlorobenzoyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180873
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187358
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236
3-(cyclopropanecarbonyl)-5'-fluoro-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016927
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2S)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186603
1'-[(4-tert-butylphenyl)methyl]-5'-methoxy-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017138
(2R)-1'-[(3-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186074
(2S)-3-(cyclobutanecarbonyl)-5'-fluoro-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186515

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 24714351) is 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCC(=O)N1CCSC12C(=O)N(CC)c1ccc(F)cc12.
What is the InChIKey of 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is GCDAOBWPZZNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-13(19)18-7-8-21-15(18)11-9-10(16)5-6-12(11)17(4-2)14(15)20/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 308.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 24714351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).